5-(furan-2-yl)-2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(furan-2-yl)-2-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[(3-oxopiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[(3-oxo-1-piperazin-1-iumyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[(3-oxopiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[(3-ketopiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C15H15N4O3S+ MolecularWeight: 331.3696

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C15H14N4O3S/c20-12-7-19(4-3-16-12)6-11-17-14(21)13-9(8-23-15(13)18-11)10-2-1-5-22-10/h1-2,5,8H,3-4,6-7H2,(H,16,20)(H,17,18,21)/p+1